• Title/Summary/Keyword: bcc Fe

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A First-principles Study on Magnetic and Electronic Properties of Ni Impurity in bcc Fe

  • Rahman, Gul;Kim, In-Gee
    • Journal of Magnetics
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    • v.13 no.4
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    • pp.124-127
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    • 2008
  • The magnetic and electronic properties of Ni impurity in bcc Fe ($Ni_1Fe_{26}$) are investigated using the full potential linearized augmented plane wave (FLAPW) method based the generalized gradient approximation (GGA). We found that the Ni impurity in bcc Fe increases both the lattice constant and the magnetic moment of bcc Fe. The calculated equilibrium lattice constant of $Ni_1Fe_{26}$ in the ferromagnetic state was 2.84 A, which is slightly larger than that of bcc Fe (2.83 ${\AA}$). The averaged magnetic moment per atom of $Ni_1Fe_{26}$ unit cell was calculated to be $2.24{\mu}_B$, which is greater than that of bcc Fe (2.17 ${\mu}_B$). The enhancement of magnetic moment of $Ni_1Fe_{26}$ is mainly contributed by the nearest neighbor Fe atom of Ni, i.e., Fe1, and this can be explained by the spin flip of Fe1 d states. The density of states shows that Ni impurity forms a virtual bound state (VBS), which is contributed by Ni $e_{g{\downarrow}}$ states. We suggest that the VBS caused by the Ni impurity is responsible for the spin flip of Fe1 d states.

Microstructural Evolution in CuCrFeNi, CuCrFeNiMn, and CuCrFeNiMnAl High Entropy Alloys

  • Hyun, Jae Ik;Kong, Kyeong Ho;Kim, Kang Cheol;Kim, Won Tae;Kim, Do Hyang
    • Applied Microscopy
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    • v.45 no.1
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    • pp.9-15
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    • 2015
  • In the present study, microstructural evolution in CuCrFeNi, CuCrFeNiMn, and CuCrFeNiMnAl alloys has been investigated. The as-cast CuCrFeNi alloy consists of a single fcc phase with the lattice parameter of 0.358 nm, while the as-cast CuCrFeNiMn alloy consists of (bcc+fcc1+fcc2) phases with lattice parameters of 0.287 nm, 0.366 nm, and 0.361 nm. The heat treatment of the cast CuCrFeNiMn alloy results in the different type of microstructure depending on the heat treatment temperature. At $900^{\circ}C$ a new thermodynamically stable phase appears instead of the bcc solid solution phase, while at $1,000^{\circ}C$, the heat treated microstructure is almost same as that in the as-cast state. The addition of Al in CuCrFeNiMn alloy changes the constituent phases from (fcc1+fcc2+bcc) to (bcc1+bcc2).

Amorphous Cr-Ti Texture-inducing Layer Underlying (002) Textured bcc-Cr alloy Seed Layer for FePt-C Based Heat-assisted Magnetic Recording Media

  • Jeon, Seong-Jae;Hinata, Shintaro;Saito, Shin
    • Journal of Magnetics
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    • v.21 no.1
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    • pp.35-39
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    • 2016
  • $Cr_{100-x}Ti_x$ amorphous texture-inducing layers (TIL) were investigated to realize highly (002) oriented $L1_0$ FePt-C granular films through hetero-epitaxial growth on the (002) textured bcc-$Cr_{80}Mn_{20}$ seed layer (bcc-SL). As-deposited TILs showed the amorphous phase in Ti content of $30{\leq}x(at%){\leq}75$. Particularly, films with $40{\leq}x{\leq}60$ kept the amorphous phase against the heat treatment over $600^{\circ}C$. It was found that preference of the crystallographic texture for bcc-SLs is directly affected by the structural phase of TILs. (002) crystallographic texture was realized in bcc-SLs deposited on the amorphous TILs ($40{\leq}x{\leq}70$), whereas (110) texture was formed in bcc-SLs overlying on crystalline TILs (x < 30 and x > 70). Correlation between the angular distribution of (002) crystal orientation of bcc-SL evaluated by full width at half maximum of (002) diffraction (FWHM) and a grain diameter of bcc-SL indicated that while the development of the lateral growth for bcc-SL grain reduces FWHM, crystallization of amorphous TILs hinders FWHM. $L1_0$ FePt-C granular films were fabricated under the substrate heating process over $600^{\circ}C$ with having different FWHM of bcc-SL. Hysteresis loops showed that squareness ($M_r/M_s$) of the films increased from 0.87 to 0.95 when FWHM of bcc-SL decreased from $13.7^{\circ}$ to $3.8^{\circ}$. It is suggested that the reduction of (002) FWHM affects to the overlying MgO film as well as FePt-C granular film by means of the hetero-epitaxial growth.

An ab Initio Study of Interfacial Energies between Group IV Transition Metal Carbides and bcc Iron (IV 천이금속 탄화물과 bcc Fe간 계면 에너지의 제일원리 연구)

  • Chung Soon-Hyo;Jung Woo-Sang;Byun Ji-Young
    • Korean Journal of Materials Research
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    • v.15 no.9
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    • pp.566-576
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    • 2005
  • This paper describes an ab Initio study on interface energies, misfit strain energies, and electron structures at coherent interfaces Fe(bcc structure)/MCs(NaCl structure M=Ti, Zr, Hf). The interface energies at relaxed interfaces Fe/TiC, Fe/ZrC and Fe/HfC were 0.263, 0.153 and $0.271 J/m^2$, respectively. It was understood that the dependence of interface energy on the type of carbide was closely related to changes of the binding energies between Fe, M and C atoms before and after formation of the interfaces Fe/MCs with the help of the DLP/NNBB (Discrete Lattice Plane/ Nearest Neighbour Broken Bond) model and data of the electron structures. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms(Fe: 8 atoms and MC; 8 atoms). More misfit energy was generated as difference of lattice parameters between the bulk Fe and the bulk MCs increased.

Damping Capacities of Nonthermoelastic BCC and HCP Martensites of Fe-Mn Binary System (Fe-Mn 이원계에서 비열탄성형 BCC 마르텐사이트와 HCP 마르텐사이트의 진동감쇠능)

  • Choi, C.S.;Kim, J.D.;Moon, I.G.;Baik, S.H.
    • Journal of the Korean Society for Heat Treatment
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    • v.4 no.4
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    • pp.15-23
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    • 1991
  • The damping capacities of the nonthermoelastic bcc type lath martensite and of the nonthermoelastic hcp type thin plate martensite in Fe-Mn alloys were studied. Fe-17%Mn alloy showing the hcp type thin plate martensite was superior to Fe-4%Mn alloy having the bcc type lath martensite in damping capacity. The damping capacity of the Fe-17%Mn alloy became greater with increasing the hcp martensite volume fraction. The damping mechanism of the Fe-4%Mn alloy was well explained by the dislocation model. However, the damping mechanism of the Fe-17%Mn alloy was explained on the basis of austenite/martensite interface moving model. The two alloys showed almost same levels of tensile strength. However, the elongation was greater in the Fe-17%Mn alloy than in the Fe-4%Mn alloy, showing lower yield strength in the former than in the latter. This result was considered to be attributed to formation of stress-induced martensite during tension test.

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Phase transformation and magnetic properties of NiFe thin films on Si(100) wafer and SiO2/Si(100) substrate by co-sputtering (Si(100) wafer와 SiO2/Si(100) 기판에 동시 스퍼터링법으로 증착된 NiFe 합금 박막의 상변화 및 자기적 특성)

  • Kang, Dae-Sik;Song, Jong-Han;Nam, Joong-Hee;Cho, Jeong-Ho;Chun, Myoung-Pyo
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.20 no.5
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    • pp.216-220
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    • 2010
  • Ni-Fe alloys have various applications such as thin film inductor, thin film transformer, magnetic head's shield case, etc. Magnetic properties of Ni-Fe thin films depend on the process parameters such as thickness, contents, deposition rate, substrates, etc. In this study, NiFe films with a thickness of about 150nm were deposited on Si(100) wafer and $SiO_2$/Si(100) substrate at room temperature by a DC magnetron co-sputtering using Fe and Ni targets. Their phase formation and magnetic properties as a function of annealing temperature were investigated with XRD, FE-SEM and VSM. The assputtered films have BCC structure. With increasing annealing temperature, NiFe thin film for $SiO_2$/Si(100) substrate transformed completely from BCC to FCC phase above $500^{\circ}C$, but some BCC phase remained above $500^{\circ}C$ on Si(100) wafer. For samples annealed at $450^{\circ}C$, squareness ratio of NiFe thin film shows peak value and its saturation magnetization is around 0.0118 emu, which means that the optimum annealing temperature of NiFe thin film seems to be $450^{\circ}C$. The saturation magnetization of films decreased rapidly above the annealing temperature of $500^{\circ}C$ due to phase transformation from BCC to FCC phase.

Phase transformation and magnetic properties of $Ni_xFe_{100-x}$ thin films deposited by a co-sputtering (동시 스퍼터링법으로 제조된 $Ni_xFe_{100-x}$ 박막의 상변화와 자기적 특성)

  • Kang, Dae-Sik;Song, Jong-Han;Nam, Joong-Hee;Cho, Jeong-Ho;Chun, Myoung-Pyo
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.19 no.6
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    • pp.282-287
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    • 2009
  • $Ni_xFe_{100-x}$ films with a thickness of about 100nm were deposited on Si(100) substrates at room temperature by a DC magnetron co-sputtering using Fe and Ni targets. Compositional, structural, electrical and magnetic properties of the films were investigated. $Ni_{67}Fe_{33}$, $Ni_{55}Fe_{45}$, $Ni_{50}Fe_{50}$, $Ni_{45}Fe_{55}$, $Ni_{40}Fe_{60}$ films are obtained by increasing the sputtering power of the Fe target. The films of x < 55 have BCC structure and show the phase transformation after annealing at the range of $300{\sim}450^{\circ}C$ for 2 h. On the other hand, the films of x < 50 have the mixed crystalline phases of BCC and FCC after the annealing treatment. The saturation magnetization was decreased initially by the phase transformation effect but then increased again after annealing at $450^{\circ}C$ due to the grain growth and crystallization of BCC phases.

Magneto-optical and optical properties of Fe-Au alloy films in a wide composition range

  • Hyun, Y.H.;Kim, C.O.;Lee, Y.P.;Kudryavtsev, Y.V.;Gontarz, R.;Kim, K.W.
    • Journal of Korean Vacuum Science & Technology
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    • v.5 no.2
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    • pp.43-46
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    • 2001
  • Fe-Au alloys are characterized by the complete solubility, and exhibit an fcc-bcc structural transformation at the Fe-rich side. The magneto-optical(equatorial Ken effect : EKE) and optical properties of Fe$\_$1-x/Aux (0 < x < 1) were investigated in the 0.5 - 5.0 eV energy range. The x-ray diffraction study shows the structural fcc-bcc transformation about 80 at. % of Fe. Noticeable changes in the optical properties caused by the fcc-bcc structural transformation was observed. The shape and intensity of the EKE spectra as well as the field dependence of the magneto-optical response were also significantly changed. It is thought that these changes are mainly comes from the induced magnetic moment in Au(and/or the emhanced magnetic moment of Fe). The nature of the prominent structure observed in the UV range of the magneto-optical Ken effect of Au/Fe multilayered films are disscussed in connection with the above results.

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A First Principles Calculation of the Coherent Interface Energies between Group IV Transition Metal Nitrides and bcc Iron (IV족 천이금속 질화물과 bcc Fe간 계면 에너지의 제일원리 연구)

  • Chung, Soon-Hyo;Jung, Woo-Sang;Byun, Ji-Young
    • Korean Journal of Materials Research
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    • v.16 no.8
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    • pp.473-478
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    • 2006
  • The coherent interface energies and misfit strain energies of Fe/XN (X=Ti, Zr, Hf) systems were calculated by first principles method. The interface energies in Fe/TiN, Fe/ZrN and Fe/HfN systems were 0.343, 0.114, and 0.030 $J/m^2$, respectively. Influence of bond energy was estimated using the discrete lattice plane/nearest neighbor broken bond(DLP/NNBB) model. It was found that the dependence of interface energy on the type of nitride was closely related to changes of the bond energies between Fe, X and N atoms before and after formation of the Fe/XN interfaces. The misfit strain energies in Fe/TiN, Fe/ZrN, and Fe/HfN systems were 0.239, 1.229, and 0.955 eV per 16 atoms(Fe; 8 atoms and XN; 8 atoms). More misfit strain energy was generated as the difference of lattice parameters between the bulk Fe and the bulk XNs increased.

Crystallization and Magnetic Properties of Non-Equilibrium Al(Fe-Cu) Alloy Powders Produced by Rod Milling and Chemical Leaching (Rod Milling과 Chemical Leaching에 의해 제작된 비평형 Al(Fe-Cu) 합금 분말의 결정화 및 자기적 특성)

  • Kim Hyun-Goo
    • Journal of Powder Materials
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    • v.11 no.6 s.47
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    • pp.486-492
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    • 2004
  • We report the crystallization and magnetic properties of non-equilibrium $Al_{0.6}(Fe_{x}Cu_{1-x})_{0.4}(x=0.25, 0.50, 0.75)$ alloy powders produced by rod-milling as well as by new chemical leaching. X-ray diffractometry, transmission electron microscopy, differential scanning calorimetry and vibrating sample magnetometry were used to characterize the as-milled and leached specimens. After 400 h or 500 h milling, only the broad peaks of nano bcc crystalline phases were detected in the XRD patterns. The crystallite size, the peak and the crystallization temperatures increased with increasing Fe. After being annealed at $600{^\circ}C$ for 1 h for as-milled alloy powders, the peaks of bcc $AlCu_{4}\;and\;Al_{13}Cu_{4}Fe_{3}\;for\;x=0.25,\;bcc\;AlCu_{4}\;and\;Al_{5}Fe_{2}\;for\;x=0.50,\;and\;Al_{5}Fe_{2},\;and\;Al_{0.5}Fe_{0.5}\;for\;x=0.75$ are observed. After being annealed at $500{^\circ}\;and\;600{^\circ}C$for 1 h for leached specimens, these non-equi-librium phases transformed into fcc Cu and $CuFe_{2}O_{4}$phases for the x=0.25 specimen, and into bcc ${\alpha}-Fe,\;fcc\;Cu,\;and\;CuFe_{2}O_{4}$ phases for both the x=0.50 and the x=0.75 specimens. The saturation magnetization decreased with increasing milling time for $Al_{0.6}(Fe_{x}Cu_{1-x})_{0.4}$ alloy powders. On cooling the leached specimens from $800{\~}850^{\circ}C$,\;the magnetization first sharply increase at about $491.4{\circ}C,\;745{\circ}C,\;and\;750.0{\circ}C$ for x=0.25, x=0.50, and x=0.75 specimens, repectively.